0 B8R0.7 CC(=O)NCCCCN HY-113100 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,0,0,0,0,0|3,0,1]=4 4 B8R0.7 NCCOCCC(=O)O HY-140002 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.7 O=C(O)CCOCCO HY-116655 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C#CCCCCCBr HY-W459522 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.1 CCCCCCCO HY-W099504 [1,0,0,0,0,0|0,0,0]=1 8 B7R0.1 CCCSSCCC HY-W196803 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.1 COCCOCCN HY-140675 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.1 COCCOCCN HY-140676 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.1 COCCOCCN HY-140677 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.1 COCCOCCN HY-140678 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.1 COCCOCCN HY-140679 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.1 COCCOCCN HY-155881 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.1 COCCOCCN HY-155882 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.1 COCCOCCN HY-W008429 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.1 COCCOCCN HY-W598230A [1,0,0,0,0,0|3,0,0]=4 18 B7R0.1 COCCOCCO HY-140696 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.1 COCCOCCO HY-140696B [1,0,0,0,0,0|2,0,0]=3 20 B7R0.1 COCCOCCO HY-140696D [1,0,0,0,0,0|2,0,0]=3 21 B7R0.1 COCCOCCO HY-140696E [1,0,0,0,0,0|2,0,0]=3 22 B7R0.1 COCCOCCO HY-W012862 [1,0,0,0,0,0|2,0,0]=3 23 B7R0.1 COCCOCCS HY-140706 [1,0,0,0,0,0|2,1,0]=4 24 B7R0.1 COCCOCCS HY-140708 [1,0,0,0,0,0|2,1,0]=4 25 B7R0.1 COCCOCCS HY-W591476 [1,0,0,0,0,0|2,1,0]=4 26 B7R0.1 COCCOCCS HY-W591476B [1,0,0,0,0,0|2,1,0]=4 27 B7R0.1 COCCOCCS HY-W591476C [1,0,0,0,0,0|2,1,0]=4 28 B7R0.1 ClCCCCCCBr HY-W009787 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.1 NCCCCCCO HY-W007957 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.1 NCCCNCCS HY-103640 [1,0,0,0,0,0|2,1,0]=4 31 B7R0.1 NCCCNCCS HY-137864 [1,0,0,0,0,0|2,1,0]=4 32 B7R0.1 NOCCOCCO HY-126951 [1,0,0,0,0,0|3,0,0]=4 33 B7R0.1 OCCCCCCBr HY-W016455 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.1 OCCCCCCCl HY-41681 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.1 OCCCCCCO HY-W010505 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.1 OCCSSCCO HY-W076898A [1,0,0,0,0,0|3,0,0]=4 37 B7R0.4 CCCCCC(C)N HY-B0952 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.4 CCCCCC(C)O HY-W015879 [1,0,0,0,0,0|0,0,0]=1 39 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,1,0,0,0,0|1,0,2]=4 42 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,1,0,0,0,0|1,0,1]=3 44 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,1,0,0,0,0|1,0,1]=3 45 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [0,1,0,0,0,0|1,0,2]=4 46 B9R0.2 COCCOCCC(=O)O HY-130231 [0,1,0,0,0,0|2,0,1]=4 47 B9R0.2 COCCOCCC(=O)O HY-133324 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,1,0,0,0,0|1,0,2]=4 50 B9R0.38 CCCCCC[N+](C)(C)C HY-W099682 [0,1,0,0,0,0|2,0,0]=3 51 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,1,0,0,0,0|0,0,2]=3 52 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,1,0,0,0,0|1,0,1]=3 53 B9R0.46 COCCOCC(O)CO HY-400147 [0,1,0,0,0,0|2,0,0]=3 54 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,1,0,0,0,0|1,0,2]=4 55 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.6 CC(C)N1CCNCC1 HY-W012744 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,0,0,1,0,0|1,0,1]=3 66 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,0,0,1,0,0|2,0,1]=4 67 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.83 COCCOCC1CO1 HY-400145 [0,0,0,1,0,0|2,0,0]=3 75 B6R0.6 C(CO)=CCCC HY-W015936 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|0,0,0]=2 78 B6R0.6 CC\C=C/CCO HY-W010607 [2,0,0,0,0,0|0,0,2]=4 79 B6R0.6 NCCCCCN HY-W016750 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.6 NCCCCCO HY-W012971 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.6 OCCOCCBr HY-141213 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.6 OCCOCCO HY-B1952 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.4 CC(C)CCCO HY-W007511 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.4 CCCCB(O)O HY-W000932 [2,0,0,0,0,0|2,0,0]=4 85 B8R0.4 C#CCCCCCCO HY-W008554 [1,1,0,0,0,0|0,0,1]=3 86 B8R0.4 C=CCCCCCCO HY-W127366 [1,1,0,0,0,0|0,0,1]=3 87 B8R0.4 CCCCCCCC=O HY-N8015 [1,1,0,0,0,0|0,0,1]=3 88 B8R0.4 CCCCCCCCBr HY-W032015 [1,1,0,0,0,0|0,0,0]=2 89 B8R0.4 CCCCCCCCN HY-W032014 [1,1,0,0,0,0|0,0,0]=2 90 B8R0.4 CCCCCCCCO HY-W032013 [1,1,0,0,0,0|0,0,0]=2 91 B8R0.4 CCCCSCCCC HY-W250123 [1,1,0,0,0,0|0,0,0]=2 92 B8R0.4 CC\C=C/CCCCO HY-W101301 [1,1,0,0,0,0|0,0,1]=3 93 B8R0.4 NCCCCCCCN HY-W008821 [1,1,0,0,0,0|1,0,0]=3 94 B8R0.4 OCCCCCCCBr HY-W008425 [1,1,0,0,0,0|0,0,0]=2 95 B8R0.6 C=CC(O)CCCCC HY-W010410 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.6 CCCCCC(O)CC HY-W099689 [1,1,0,0,0,0|0,0,0]=2 97 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|1,0,1]=4 98 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.8 CCCCC(C)C(=O)O HY-128371 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.8 CCCCC(N)C(=O)O HY-W012709 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.8 CCCCC(O)C(=O)O HY-75954 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.8 CCCC[C@@H](N)C(=O)O HY-41912A [1,1,0,0,0,0|1,0,1]=4 104 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.28 CC(C)CCCC(C)N HY-B1233 [1,1,0,0,0,0|1,0,0]=3 106 B8R0.28 CC(C)CCCC(C)N HY-B1233A [1,1,0,0,0,0|1,0,0]=3 107 B10R0.3 CC(C)CCCC(C)CCO HY-W010176 [0,2,0,0,0,0|1,0,0]=3 108 B10R0.4 CCCCCCCCC(=O)O HY-N7057 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.4 CCCCCCCOC(C)=O HY-W099503 [0,2,0,0,0,0|0,0,2]=4 110 B10R0.4 NCCCCCCCC(=O)O HY-W018678 [0,2,0,0,0,0|1,0,1]=4 111 B10R0.6 CCCCCC(O)CC(=O)O HY-113058 [0,2,0,0,0,0|1,0,1]=4 112 B10R0.22 CCCCCCOS(C)(=O)=O HY-43948 [0,2,0,0,0,0|1,0,1]=4 113 B10R0.22 [2H]C([2H])(O)CCCCCCC HY-W032013S1 [0,2,0,0,0,0|1,0,0]=3 114 B10R0.74 CCCCCCCC(=O)NO HY-W001857 [0,2,0,0,0,0|1,0,1]=4 115 B10R0.74 CCCCCCCC(=O)OC HY-W087943 [0,2,0,0,0,0|0,0,2]=4 116 B10R0.74 CCCCCCCC(=O)O[Na] HY-W015339 [0,2,0,0,0,0|1,0,1]=4 117 B10R0.75 CCCCCCC(N)C(=O)O HY-W015461 [0,2,0,0,0,0|1,0,0]=3 118 B10R0.75 CCCCCCC(O)C(=O)O HY-W015444 [0,2,0,0,0,0|0,0,1]=3 119 B10R0.78 CCCCC(C)CCC(=O)O HY-W010178 [0,2,0,0,0,0|1,0,1]=4 120 B10R0.62 CCCCCCS(=O)(=O)O[Na] HY-W016091 [0,2,0,0,0,0|2,0,0]=4 121 B10R0.1 CCCCCCC(=O)OCC HY-W010177 [0,2,0,0,0,0|0,0,2]=4 122 B10R0.1 CCCCCCC(O)CCC HY-W275553 [0,2,0,0,0,0|0,0,0]=2 123 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308 [0,2,0,0,0,0|0,0,2]=4 124 B10R0.83 CCCCC[C@H](N)C(=O)NC HY-W250308A [0,2,0,0,0,0|0,0,2]=4 125 B8R1.2 OCC1CCCCO1 HY-115051 [1,0,0,1,0,0|1,0,0]=3 126 B8R1.2 OCC1CCOCC1 HY-79631 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|0,0,2]=4 128 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.8 OCCN1CCCC1 HY-W010519 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [1,0,0,1,0,0|1,0,0]=3 132 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,1,0,0|1,0,1]=4 134 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.4 CC1CCCC(C)N1 HY-B1191 [1,0,0,1,0,0|1,0,0]=3 136 B8R1.7 OB(O)C1CCCC1 HY-W000955 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.72 C[N+]1(C)CCCCC1 HY-W017448 [1,0,0,1,0,0|2,0,0]=4 138 B10R1.13 O=C(O)C1CCC(O)CC1 HY-W015675 [0,1,0,1,0,0|1,0,1]=4 139 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 HY-76199 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.18 O=C(O)CC1CCCCC1 HY-W018653 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.15 CCC(=O)C1CCCCC1 HY-W026029 [0,1,0,1,0,0|0,0,2]=4 142 B10R1.15 COC(=O)C1CCCCC1 HY-W007704 [0,1,0,1,0,0|0,0,2]=4 143 B10R1.23 NC(C(=O)O)C1CCCC1 HY-W040803 [0,1,0,1,0,0|1,0,1]=4 144 B10R2.71 OC1CC2CCC(C1)N2 HY-W018601 [0,0,0,2,0,0|1,0,0]=3 145 B10R2.71 [C@H]12CC[C@H](C[C@H](O)C1)N2 HY-W066915 [0,0,0,2,0,0|1,0,0]=3